#MD System 2.0 @Title neb0_image06 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.215516244285 0.526801762557 0.326706361473} C1 1 1 14 {} {0.26945844177 0.489825103339 0.284945509836} Si1 2 1 14 {} {0.168823946782 0.53525293366 0.245709907669} Si2 3 1 8 {} {0.282040308173 0.522880939175 0.187105409819} O1 4 1 8 {} {0.309452370932 0.510159547976 0.355829982577} O2 5 1 6 {} {0.267500251614 0.396640929276 0.277905886918} C2 6 1 6 {} {0.137273661895 0.455558117599 0.227978470853} C3 7 1 8 {} {0.193341130857 0.561180522305 0.151502394481} O3 8 1 8 {} {0.133480010073 0.596336247699 0.272687096432} O4 9 1 14 {} {0.360938460175 0.539030420084 0.360982238697} Si3 10 1 7 {} {0.395530103788 0.476048671362 0.402726792868} N1 11 1 14 {} {0.449472074674 0.474083232542 0.36087128084} Si4 12 1 14 {} {0.375224842984 0.421948170219 0.485602939623} Si5 13 1 7 {} {0.346126694791 0.459696791853 0.570856580534} N2 14 1 7 {} {0.47024479259 0.554513819625 0.365207894782} N3 15 1 1 {} {0.203914867456 0.498188328117 0.385187507859} H1 16 1 1 {} {0.223369323368 0.5776264675 0.350889807549} H2 17 1 1 {} {0.256523433833 0.543023309242 0.156356362803} H3 18 1 1 {} {0.262338283246 0.373643454456 0.343731025715} H4 19 1 1 {} {0.299213160668 0.377591166389 0.25114721148} H5 20 1 1 {} {0.240719626224 0.379533764708 0.233223955577} H6 21 1 1 {} {0.110759931241 0.461771202701 0.177927169774} H7 22 1 1 {} {0.121747392916 0.437829355689 0.290184249557} H8 23 1 1 {} {0.159692146114 0.415766218838 0.204373636771} H9 24 1 1 {} {0.174829578329 0.584214896457 0.108262427645} H10 25 1 1 {} {0.105089309242 0.584046855487 0.298759088691} H11 26 1 1 {} {0.377287130138 0.558994396028 0.271151530452} H12 27 1 1 {} {0.359790810878 0.597835842409 0.422020145835} H13 28 1 1 {} {0.474115190066 0.422486955937 0.414164763738} H14 29 1 1 {} {0.452220264937 0.45695420312 0.264655610505} H15 30 1 1 {} {0.343815309499 0.372765012853 0.445142011222} H16 31 1 1 {} {0.414748460093 0.387663634339 0.524636634574} H17 32 1 1 {} {0.314535937579 0.476193434731 0.559852810872} H18 33 1 1 {} {0.362137511122 0.490097037442 0.614782904575} H19 34 1 1 {} {0.494632153395 0.569027480596 0.322040576889} H20 35 1 1 {} {0.476072146724 0.576575968845 0.42516615916} H21 36 1 6 {} {0.644803501765 0.639080255157 0.485893826522} C4 37 1 14 {} {0.605604881847 0.575332364495 0.438410401821} Si6 38 1 14 {} {0.642329558895 0.725653705974 0.44106656942} Si7 39 1 8 {} {0.6026924371 0.583518598526 0.32856517115} O5 40 1 8 {} {0.624936265062 0.500445472668 0.462288525709} O6 41 1 6 {} {0.549298148343 0.581841078382 0.489024741038} C5 42 1 6 {} {0.594737576079 0.776134466101 0.485798165504} C6 43 1 8 {} {0.638075282353 0.714860749691 0.330566394166} O7 44 1 8 {} {0.689885772469 0.767047332958 0.456781843503} O8 45 1 14 {} {0.635478684788 0.422523752049 0.434424734481} Si8 46 1 7 {} {0.590191565671 0.370385032529 0.452625821319} N4 47 1 14 {} {0.570691267713 0.321027483088 0.36404300392} Si9 48 1 14 {} {0.565358653654 0.36708234333 0.558770197174} Si10 49 1 7 {} {0.600730036206 0.385818799719 0.645753908774} N5 50 1 7 {} {0.60561745036 0.258417948491 0.326637926245} N6 51 1 1 {} {0.640537937132 0.640549774992 0.558947714912} H22 52 1 1 {} {0.678817153131 0.620314300248 0.473494895784} H23 53 1 1 {} {0.615187858791 0.625788134691 0.306603463532} H24 54 1 1 {} {0.548647584475 0.571627487395 0.560749547591} H25 55 1 1 {} {0.52834061748 0.543861386711 0.457332478868} H26 56 1 1 {} {0.534002343039 0.631056620672 0.476637983547} H27 57 1 1 {} {0.593968506951 0.82656521971 0.456406486181} H28 58 1 1 {} {0.596785748552 0.781651419009 0.558753506017} H29 59 1 1 {} {0.56265847936 0.751992649432 0.470627923522} H30 60 1 1 {} {0.646043861113 0.752307428657 0.292643430973} H31 61 1 1 {} {0.690276260203 0.802088783299 0.501378940103} H32 62 1 1 {} {0.6470311724 0.417540106031 0.337653030231} H33 63 1 1 {} {0.674682600049 0.402252420906 0.489234002604} H34 64 1 1 {} {0.528864641141 0.289213824779 0.396925223839} H35 65 1 1 {} {0.562445058745 0.364036824707 0.284537248896} H36 66 1 1 {} {0.528287798193 0.416507991673 0.565522665002} H37 67 1 1 {} {0.54828643927 0.297600868885 0.570851535649} H38 68 1 1 {} {0.607266214351 0.434425433475 0.661015171761} H39 69 1 1 {} {0.627756570506 0.356707939678 0.659182290454} H40 70 1 1 {} {0.630231886911 0.269555804696 0.282472696402} H41 71 1 1 {} {0.615152750167 0.22070296196 0.367912306607} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end